SCHEMBL30949580

SCHEMBL30949580

CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CXCR1 P25024 1/20 0.46
CXCR2 P25025 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 3/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.42
KCNMA1 Q12791 1/20 0.42
NR3C1 P04150 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30949589 1.00 GAA (0.51) GAAKMT2AMEN1TDP1CXCR1
SCHEMBL23320439 0.82 KCNMA1 (0.59) GAAKMT2AMEN1TDP1CXCR1
SCHEMBL396053 0.81 SMN1; SMN2 (0.57) GAAKMT2AMEN1TDP1CXCR1
SCHEMBL30949559 0.80 CETP (0.42) GAAKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL30949560 0.80 CETP (0.42) GAAKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2230525 0.79 KMT2A (0.52) GAAKMT2AMEN1TDP1CXCR1
SCHEMBL2230530 0.79 KMT2A (0.52) GAAKMT2AMEN1TDP1CXCR1
SCHEMBL2311747 0.78 HTT (0.65) GAAKMT2AMEN1TDP1CXCR1
SCHEMBL30661616 0.76 KMT2A (0.47) GAAKMT2AMEN1TDP1CXCR1
SCHEMBL2144447 0.76 KMT2A (0.47) GAAKMT2AMEN1TDP1CXCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 EP disclosed
WO-2024153225-A1 NOVEL ALPK1 INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2024-07-25 WO disclosed